Chem
J-GLOBAL ID：200907079267074300   Nikkaji number：J21.370E

Dermorphin

デルモルフィン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C40H50N8O10
Molecular formula furigana： C40-H50-N8-O10
Molecular weight： 802.886
InChI： InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
InChI key： FHZPGIUBXYVUOY-VWGYHWLBSA-N
SMILES： C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N
Systematic name  (4)：
  • Tyr-D-Ala-Phe-Gly-Tyr-Pro-Ser-NH2
  • L-Tyr-D-Ala-L-Phe-Gly-L-Tyr-L-Pro-L-Ser-NH2
  • (2S)-2-[(2R)-2-[(2S)-2-アミノ-3-(4-ヒドロキシフェニル)プロパンアミド]プロパンアミド]-N-({[(2S)-1-[(2S)-2-{[(1S)-1-カルバモイル-2-ヒドロキシエチル]カルバモイル}ピロリジン-1-イル]-3-(4-ヒドロキシフェニル)-1-オキソプロパン-2-イル]カルバモイル}メチル)-3-フェニルプロパンアミド
  • (2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-N-({[(2S)-1-[(2S)-2-{[(1S)-1-carbamoyl-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}methyl)-3-phenylpropanamide
Other name (2)：
  • デルモルフィン
  • Dermorphin
CAS registry number： 77614-16-5
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